6,12-bis(2,3,4,5,6-pentafluorophenyl)indeno[1,2-b]fluorene

C32H10F10 — CID 99938499

IUPAC6,12-bis(2,3,4,5,6-pentafluorophenyl)indeno[1,2-b]fluorene
SMILESFc1c(F)c(F)c(C2=c3cc4c(cc3-c3ccccc32)=C(c2c(F)c(F)c(F)c(F)c2F)c2ccccc2-4)c(F)c1F
InChIInChI=1S/C32H10F10/c33-23-21(24(34)28(38)31(41)27(23)37)19-13-7-3-1-5-11(13)15-9-18-16(10-17(15)19)12-6-2-4-8-14(12)20(18)22-25(35)29(39)32(42)30(40)26(22)36/h1-10H
InChIKeyOXAQTDQMTJVZOI-UHFFFAOYSA-N
MW584.41 g/mol
LogP7.53
Rot. Bonds2

About 6,12-bis(2,3,4,5,6-pentafluorophenyl)indeno[1,2-b]fluorene

6,12-bis(2,3,4,5,6-pentafluorophenyl)indeno[1,2-b]fluorene (PubChem CID 99938499) has the molecular formula C32H10F10 and a molecular weight of 584.41 g/mol. Its IUPAC name is 6,12-bis(2,3,4,5,6-pentafluorophenyl)indeno[1,2-b]fluorene.

Molecular Properties

Compound Name6,12-bis(2,3,4,5,6-pentafluorophenyl)indeno[1,2-b]fluorene
PubChem CID99938499
Molecular FormulaC32H10F10
Molecular Weight584.41 g/mol
Exact Mass584.06
IUPAC Name6,12-bis(2,3,4,5,6-pentafluorophenyl)indeno[1,2-b]fluorene
SMILESFc1c(F)c(F)c(C2=c3cc4c(cc3-c3ccccc32)=C(c2c(F)c(F)c(F)c(F)c2F)c2ccccc2-4)c(F)c1F
InChIInChI=1S/C32H10F10/c33-23-21(24(34)28(38)31(41)27(23)37)19-13-7-3-1-5-11(13)15-9-18-16(10-17(15)19)12-6-2-4-8-14(12)20(18)22-25(35)29(39)32(42)30(40)26(22)36/h1-10H
InChIKeyOXAQTDQMTJVZOI-UHFFFAOYSA-N
XLogP7.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.41
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,12-bis(2,3,4,5,6-pentafluorophenyl)indeno[1,2-b]fluorene?
The IUPAC name of 6,12-bis(2,3,4,5,6-pentafluorophenyl)indeno[1,2-b]fluorene (CID 99938499) is 6,12-bis(2,3,4,5,6-pentafluorophenyl)indeno[1,2-b]fluorene.
What is the SMILES notation for 6,12-bis(2,3,4,5,6-pentafluorophenyl)indeno[1,2-b]fluorene?
The canonical SMILES for 6,12-bis(2,3,4,5,6-pentafluorophenyl)indeno[1,2-b]fluorene is Fc1c(F)c(F)c(C2=c3cc4c(cc3-c3ccccc32)=C(c2c(F)c(F)c(F)c(F)c2F)c2ccccc2-4)c(F)c1F.
What is the InChIKey of 6,12-bis(2,3,4,5,6-pentafluorophenyl)indeno[1,2-b]fluorene?
The InChIKey is OXAQTDQMTJVZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H10F10/c33-23-21(24(34)28(38)31(41)27(23)37)19-13-7-3-1-5-11(13)15-9-18-16(10-17(15)19)12-6-2-4-8-14(12)20(18)22-25(35)29(39)32(42)30(40)26(22)36/h1-10H.
What are the key properties of 6,12-bis(2,3,4,5,6-pentafluorophenyl)indeno[1,2-b]fluorene?
6,12-bis(2,3,4,5,6-pentafluorophenyl)indeno[1,2-b]fluorene has a molecular weight of 584.41 g/mol, XLogP of 7.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-bis(2,3,4,5,6-pentafluorophenyl)indeno[1,2-b]fluorene is sourced from PubChem (CID 99938499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).